5LQU

Crystal Structure of COMT in complex with N-[(E)-3-[(2R,3S,4R,5R)-5-[6-(ethylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxybenzamide

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Catechol O-methyltransferase	polymer	221	24772.4	2	UniProt (P22734) Pfam (PF01596) In PDB	Rattus norvegicus (Norway Rat)
2	A, B	N-[(E)-3-[(2R,3S,4R,5R)-5-(6-ethylaminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-dihydroxy-benzamide	non-polymer		550.5	2	Chemie (619)
3	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	A, B	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5	A	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	1	Chemie (BTB)
6		water	water		18.0	418	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	49544.8
Non-Polymers*	Number of molecules	8
	Total formula weight	1465.3
All*	Total formula weight	51010.1

*Water molecules are not included.